SCHEMBL6077362

SCHEMBL6077362

CC1(C)OC(=O)C(=CC(=O)N(CCCc2ccccc2)Cc2ccc(Cl)c(Cl)c2)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
SIGMAR1 Q99720 4/20 0.37
PDPK1 O15530 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
PPARG P37231 1/20 0.35
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6077360 1.00 TRPV1 (0.41) TRPV1SIGMAR1PDPK1LIPGPLAAT3
SCHEMBL6417430 0.85 POLB (0.38) PDPK1
SCHEMBL6417431 0.85 POLB (0.38) PDPK1
SCHEMBL6077470 0.85 MEN1 (0.37) SIGMAR1LIPG
SCHEMBL6077465 0.85 MEN1 (0.37) SIGMAR1LIPG
SCHEMBL6076726 0.85 CDK8 (0.38) SIGMAR1PDPK1
SCHEMBL6879362 0.82 CDK8 (0.36) TRPV1SIGMAR1PDPK1LIPG
SCHEMBL6078367 0.82 CDK8 (0.36) TRPV1SIGMAR1PDPK1LIPG
SCHEMBL6077308 0.82 USP30 (0.47) TRPV1SIGMAR1PDPK1
SCHEMBL6077313 0.82 USP30 (0.47) TRPV1SIGMAR1PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF TRPV1 4770/4885SIGMAR1 4036/4885PDPK1 1272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.